morpholine;nitrobenzene

C10H14N2O3 — CID 118511657

IUPACmorpholine;nitrobenzene
SMILESC1COCCN1.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.C4H9NO/c8-7(9)6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5H;5H,1-4H2
InChIKeyVFPBLILFLMGMCD-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.20
Rot. Bonds1

About morpholine;nitrobenzene

morpholine;nitrobenzene (PubChem CID 118511657) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is morpholine;nitrobenzene.

Molecular Properties

Compound Namemorpholine;nitrobenzene
PubChem CID118511657
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemorpholine;nitrobenzene
SMILESC1COCCN1.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.C4H9NO/c8-7(9)6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5H;5H,1-4H2
InChIKeyVFPBLILFLMGMCD-UHFFFAOYSA-N
XLogP1.20
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholine;nitrobenzene?
The IUPAC name of morpholine;nitrobenzene (CID 118511657) is morpholine;nitrobenzene.
What is the SMILES notation for morpholine;nitrobenzene?
The canonical SMILES for morpholine;nitrobenzene is C1COCCN1.O=[N+]([O-])c1ccccc1.
What is the InChIKey of morpholine;nitrobenzene?
The InChIKey is VFPBLILFLMGMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C4H9NO/c8-7(9)6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5H;5H,1-4H2.
What are the key properties of morpholine;nitrobenzene?
morpholine;nitrobenzene has a molecular weight of 210.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;nitrobenzene is sourced from PubChem (CID 118511657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).